L-homocarnosine (CHEBI:85981)

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CHEBI:85981 - L-homocarnosine

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ChEBI ID	CHEBI:85981
ChEBI Name	L-homocarnosine
Stars
ASCII Name	L-homocarnosine
Definition	A homocarnosine that has S configuration.
Last Modified	28 February 2019
Submitter	Gareth Owen
Downloads	Molfile

Formula	C10H16N4O3
Net Charge	0
Average Mass	240.263
Monoisotopic Mass	240.12224
SMILES	NCCCC(=O)N[C@@H](Cc1cncn1)C(=O)O
InChI	InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1
InChIKey	CCLQKVKJOGVQLU-QMMMGPOBSA-N

Roles Classification

Chemical Roles:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	L-homocarnosine (CHEBI:85981) has role human metabolite (CHEBI:77746)
	L-homocarnosine (CHEBI:85981) is a N-acyl-L-α-amino acid (CHEBI:48927)
	L-homocarnosine (CHEBI:85981) is a L-histidine derivative (CHEBI:84076)
	L-homocarnosine (CHEBI:85981) is a dipeptide (CHEBI:46761)
	L-homocarnosine (CHEBI:85981) is a homocarnosine (CHEBI:28050)
	L-homocarnosine (CHEBI:85981) is tautomer of L-homocarnosine zwitterion (CHEBI:143075)
Incoming Relation(s)
Incoming Relation(s)	L-homocarnosine zwitterion (CHEBI:143075) is tautomer of L-homocarnosine (CHEBI:85981)

IUPAC Name
N-(4-aminobutanoyl)-L-histidine

Synonyms	Source
γ-aminobutyryl-L-His	ChEBI
N^α-(4-aminobutyryl)-L-histidine	ChEBI
N-(4-aminobutanoyl)-(S)-histidine	ChEBI
(S)-homocarnosine	ChEBI
(2S)-homocarnosine	ChEBI
homocarnosine	ChEBI

Manual Xrefs	Databases
C00884	KEGG COMPOUND
HMDB0000745	HMDB
CPD-12185	MetaCyc

Registry Numbers	Sources
Reaxys:24662	Reaxys
CAS:3650-73-5	KEGG COMPOUND
CAS:3650-73-5	ChemIDplus

Citations